Results 271 to 280 of about 527,698 (329)

Multireference Theory of Scanning Tunneling Spectroscopy Beyond One-Electron Molecular Orbitals: Can We Image Molecular Orbitals? [PDF]

J Am Chem Soc
Kumar M, Soler-Polo D, Lozano M, Monino E, Veis L, Jelinek P.   +5 more
europepmc   +1 more source

The conductance of molecular wires and DFT based transport calculations

, 2003
Ferdinand Evers, Florian Weigend, Max Koentopp   +2 more
openalex   +2 more sources

Highly Active Air Electrode with Enhanced Proton Conduction via Isovalent Doping in a Layered Perovskite for Reversible Protonic Ceramic Cells

Advanced Functional Materials, EarlyView.
A Ni‐doped PBSCN20 air electrode is proposed as a promising air electrode material for reversible protonic ceramic cells. An isovalent doping significantly facilitates oxygen vacancy formation and proton uptake while simultaneously reducing the energy barrier for proton migration.
Jiwon Yun, Hyeongsik Shin, Seungchan Kim, Boseok Seong, Seongjae Lee, Kyeounghak Kim, Sun Hee Choi, Sihyuk Choi   +7 more
wiley   +1 more source

Identity of Oxygen-Rich Nickel Oxides as Oxosuperoxides and Oxoperoxides and Their Heterostructures. [PDF]

Inorg Chem
Bujdák R, Derzsi M, Tokár K.
europepmc   +1 more source

Unraveling Mixed‐Defect Transformations and Passivation Dynamics in Silicon Heterojunction Solar Cells

Advanced Functional Materials, EarlyView.
Defects in materials coexist in multiple forms, undergo dynamic transformations, and influence the material properties. Here, the dynamic transformations of passivation‐related defects in silicon heterojunctions are revealed through the decomposition of dual‐phase capacitance transients.
Do Hoe Kim, Joon‐Ho Oh, Tae Kyung Lee, Yongrae Kim, Jeong‐Ho An, Seo Woo Sim, Yun‐Tak Han, Jin Young Lee, Munse Kim, Kyuhyeon Im, Yong‐Jin Kim, Unsoo Kim, Kyung Taek Jeong, Min Gu Kang, Sang Hee Lee, Yunae Cho, Hee‐Eun Song, Ka‐Hyun Kim   +17 more
wiley   +1 more source

Surface Wrinkling of Plasma‐Exposed PDMS is Caused by Water Vapor Sorption: An Optical Environmental Sensor

Advanced Functional Materials, EarlyView.
Wrinkling of soft materials, such as polydimethylsiloxane (PDMS), underpins a myriad of technologies. Plasma‐oxidation of PDMS induces spontaneous wrinkling, which is canonically attributed to thermal expansion‐contraction of bilayers. Employing experiments and modelling, it is demonstrated that sorption of water vapor is instead responsible for ...
Zain Ahmad, Gunjan Tyagi, Shuning Xiang, Jerry Heng, Pedro Patrício, Paulo I. C. Teixeira, Christopher M. Stafford, Jack F. Douglas, João T. Cabral   +8 more
wiley   +1 more source

Experimentally Validated Design Principles of D‐Block Transition Metal Single‐Atom Non‐Dissociative Chemisorption Solid‐State Hydrogen Storage Materials

Advanced Functional Materials, EarlyView.
A novel descriptor and a bottom‐up design principle are established to enable the rational design of hydrogen storage materials based on d‐block transition metal single‐atom COFs. By modulating H₂ adsorption through d‐orbital tuning, this approach achieves both high storage capacity and fast kinetics, while revealing a volcano‐type relationship between
Qiuyan Yue, Chao Li, Yong Gao, Zhenglong Li, Wen‐Gang Cui, Xinqiang Wang, Guoquan Na, Xiaowei Wang, Yiyang Wan, Mingchang Zhang, Yanxia Liu, Fulai Qi, Chenchen Li, Xu Xue, Jian Miao, Jing Zhang, Xiao Han, Pan Wang, Chang Guo, Xiacui Liu, Mingxia Gao, Wenping Sun, Jian Chen, Zhenhai Xia, Hongge Pan   +24 more
wiley   +1 more source

Enhancing image retrieval through optimal barcode representation. [PDF]

Sci Rep
Khosrowshahli R, Kheiri F, Asilian Bidgoli A, Tizhoosh HR, Makrehchi M, Rahnamayan S.   +5 more
europepmc   +1 more source

Molecular Engineering of Coacervate Network Binders for Stable Silicon‐Based Anodes in Lithium‐Ion Batteries

Advanced Functional Materials, EarlyView.
A coacervate charged polymer network is designed to regulate Coulomb interactions for stabilizing silicon anodes. By tuning electrostatic interactions, the binders enhance adhesion, stress dissipation, and interfacial stability. The binder with the strongest Coulomb interactions enables high areal capacities and stable full‐cell cycling with Ni‐rich ...
Dong‐Yeob Han, Im Kyung Han, Junsu Son, Jin Yong Kwon, Youn Soo Kim, Tae Kyung Lee, Soojin Park, Jaegeon Ryu   +7 more
wiley   +1 more source